butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate

C28H26Cl2N2O5S — CID 91338273

IUPACbutyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate
SMILESCCCCOC(=O)CN(c1ccc2c(ccn2C(=O)Cc2ccccc2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C28H26Cl2N2O5S/c1-2-3-13-37-28(34)19-32(38(35,36)25-17-22(29)16-23(30)18-25)24-9-10-26-21(15-24)11-12-31(26)27(33)14-20-7-5-4-6-8-20/h4-12,15-18H,2-3,13-14,19H2,1H3
InChIKeyRPNNPDQCWFOCLW-UHFFFAOYSA-N
MW573.50 g/mol
LogP6.37
Rot. Bonds10

About butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate

butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate (PubChem CID 91338273) has the molecular formula C28H26Cl2N2O5S and a molecular weight of 573.50 g/mol. Its IUPAC name is butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate.

Molecular Properties

Compound Namebutyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate
PubChem CID91338273
Molecular FormulaC28H26Cl2N2O5S
Molecular Weight573.50 g/mol
Exact Mass572.09
IUPAC Namebutyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate
SMILESCCCCOC(=O)CN(c1ccc2c(ccn2C(=O)Cc2ccccc2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C28H26Cl2N2O5S/c1-2-3-13-37-28(34)19-32(38(35,36)25-17-22(29)16-23(30)18-25)24-9-10-26-21(15-24)11-12-31(26)27(33)14-20-7-5-4-6-8-20/h4-12,15-18H,2-3,13-14,19H2,1H3
InChIKeyRPNNPDQCWFOCLW-UHFFFAOYSA-N
XLogP6.37
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(phenylcarbamoyl)indol-5-yl]amino]acetate
CID 90701568
butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(6-phenylmethoxypyridazin-3-yl)indol-5-yl]amino]acetate
CID 91166753
butyl 2-[[7-(benzylcarbamoylamino)naphthalen-2-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 123818666
butyl 2-[[5-(5-benzyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 90700402
butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(6-thiomorpholin-4-ylpyridazin-3-yl)indol-5-yl]amino]acetate
CID 90791541
butyl 2-[(7-cyanonaphthalen-2-yl)-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 91477631
butyl 2-[(3,5-dichlorophenyl)sulfonyl-[5-[(Z)-N'-hydroxycarbamimidoyl]naphthalen-2-yl]amino]acetate
CID 140570306
butyl 2-[(2,6-dichloro-4-pyridinyl)sulfonyl-(9-ethylcarbazol-3-yl)amino]acetate
CID 90994936
butyl 2-[(3,5-dichlorophenyl)sulfonyl-[3-(methylcarbamoyl)-1-benzothiophen-6-yl]amino]acetate
CID 91011559
butyl 2-[(3,5-dichlorophenyl)sulfonyl-[5-(pyridin-3-ylmethylcarbamoyl)naphthalen-2-yl]amino]acetate
CID 90851206
[[1-(2-chloroacetyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 87469905
butyl 2-[(3,5-dichlorophenyl)sulfonyl-[5-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]amino]acetate
CID 123478897

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate?
The IUPAC name of butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate (CID 91338273) is butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate.
What is the SMILES notation for butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate?
The canonical SMILES for butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate is CCCCOC(=O)CN(c1ccc2c(ccn2C(=O)Cc2ccccc2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate?
The InChIKey is RPNNPDQCWFOCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N2O5S/c1-2-3-13-37-28(34)19-32(38(35,36)25-17-22(29)16-23(30)18-25)24-9-10-26-21(15-24)11-12-31(26)27(33)14-20-7-5-4-6-8-20/h4-12,15-18H,2-3,13-14,19H2,1H3.
What are the key properties of butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate?
butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate has a molecular weight of 573.50 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(2-phenylacetyl)indol-5-yl]amino]acetate is sourced from PubChem (CID 91338273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).